MolNFT v1 · #58493 · protein
Crystal structures of the S504A mutant of an isolated ABC-ATPase in complex with tnp-ADP
3B5J · Alpha-hemolysin translocation ATP-binding protein hlyb: “Crystal structures of the S504A mutant of an isolated ABC-ATPase in complex with tnp-ADP”. X-ray diffraction, 1 ligand (12D), 2 pockets (best druggability 0.67). MolNFT v1…
- PDB
- 3B5J
- Type
- protein
- Length
- 243 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Alpha-hemolysin translocation ATP-binding protein hlyb
- UniProt
- P08716
- Ligands
- 12D
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Alpha-hemolysin translocation ATP-binding protein hlyb | protein | 243 | 35% helix, 26% strand | P08716 |
Ligands and binding sites
- 12D · 2',3'-O-[(1R,6R)-2,4,6-trinitrocyclohexa-2,4-diene-1,1-diyl]adenosine 5'-(trihydrogen diphosphate) · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 224 | 0.67 | 0.84 | 30 | empty |
| 2 | 145 | 0.47 | 0.77 | 25 | empty |
Compared structures
- 3B5J · Crystal Structures of the S504A Mutant of an Isolated ABC-ATPase in Complex with TNP-ADP · the same entry in another collection · chain A against A, TM-score 1.00
- P08716 · AlphaFold monomer V2.0 prediction for alpha-hemolysin translocation ATP-binding protein… · a predicted model of the same protein · chain A against A, TM-score 0.92
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P08716
- Elsewhere: RCSB PDB 3B5J · PDBe 3B5J · UniProt P08716
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